[1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C11H15N3OS — CID 82204980

IUPAC[1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-2-5-14-11(10(8-15)12-13-14)7-9-4-3-6-16-9/h3-4,6,15H,2,5,7-8H2,1H3
InChIKeyJEAQLEAIXAEMDQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.83
Rot. Bonds5

About [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82204980) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82204980
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-2-5-14-11(10(8-15)12-13-14)7-9-4-3-6-16-9/h3-4,6,15H,2,5,7-8H2,1H3
InChIKeyJEAQLEAIXAEMDQ-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82204980) is [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is CCCn1nnc(CO)c1Cc1cccs1.
What is the InChIKey of [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is JEAQLEAIXAEMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-5-14-11(10(8-15)12-13-14)7-9-4-3-6-16-9/h3-4,6,15H,2,5,7-8H2,1H3.
What are the key properties of [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 237.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82204980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).